CAS Registry Number®
43052-87-5
CAS Name
α-Damascone
Molecular Formula
C13H20O
Molecular Mass
192.30
Compound Properties
-
Boiling Point (1)
253-255 °C @ Press: 760 Torr
-
Density (1)
0.9229 g/cm³ @ Temp: 27 °C
Source(s)
- (1) Kumar, Kudli Shrinivas Prashanth; US20030153790, A1, 2003, CAplus
Other Names and Identifiers
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3
InChIKey
InChIKey=CRIGTVCBMUKRSL-UHFFFAOYSA-N
SMILES
C(C=CC)(=O)C1C(C)(C)CCC=C1C
Canonical SMILES
O=C(C=CC)C1C(=CCCC1(C)C)C
Other Names for this Substance
- 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
- 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
- 2,6,6-Trimethyl-1-crotonyl-2-cyclohexene
- α-Damascone
- 1-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-1-one
Deleted or Replaced CAS Registry Numbers
72748-70-0